N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c25-24(26)16-17(20-8-12-3-4-14-15(6-12)28-11-27-14)22-10-23-18(16)21-9-13-2-1-5-19-7-13/h1-7,10H,8-9,11H2,(H2,20,21,22,23)